1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine

C11H19NO — CID 102647624

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCNC(C1=CCCCO1)C1CC1C
InChIInChI=1S/C11H19NO/c1-8-7-9(8)11(12-2)10-5-3-4-6-13-10/h5,8-9,11-12H,3-4,6-7H2,1-2H3
InChIKeyCHKINRJGHNKQAS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.92
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 102647624) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID102647624
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCNC(C1=CCCCO1)C1CC1C
InChIInChI=1S/C11H19NO/c1-8-7-9(8)11(12-2)10-5-3-4-6-13-10/h5,8-9,11-12H,3-4,6-7H2,1-2H3
InChIKeyCHKINRJGHNKQAS-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107191585
1-(3-bicyclo[3.1.0]hexanyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649558
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 102647602
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 102648003
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
1-(4-butylcyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649544
1-cyclohexyl-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102651300
[3,4-dihydro-2H-pyran-6-yl-(5-methyloxolan-3-yl)methyl]hydrazine
CID 102650408
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 102647752
[3,4-dihydro-2H-pyran-6-yl-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 102650322
N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
CID 102649116
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102649042

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 102647624) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine is CNC(C1=CCCCO1)C1CC1C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is CHKINRJGHNKQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-7-9(8)11(12-2)10-5-3-4-6-13-10/h5,8-9,11-12H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 102647624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).